Information card for entry 4076152

Structure parameters

• Formula: C70 H56 Au3 Cl2 P3
• Calculated formula: C70 H56 Au3 Cl2 P3
• SMILES: [Au](C#Cc1c(c(c(c(c1C)C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)C)C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§
• Authors of publication: Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5956
• a: 24.554 ± 0.002 Å
• b: 16.6859 ± 0.0012 Å
• c: 15.0022 ± 0.0012 Å
• α: 90°
• β: 100.265 ± 0.003°
• γ: 90°
• Cell volume: 6048.1 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No